5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole

C6H7ClN2S — CID 65421554

IUPAC5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole
SMILESCC1CC1c1nsc(Cl)n1
InChIInChI=1S/C6H7ClN2S/c1-3-2-4(3)5-8-6(7)10-9-5/h3-4H,2H2,1H3
InChIKeyLAHNHBKLIQTDKD-UHFFFAOYSA-N
MW174.66 g/mol
LogP2.31
Rot. Bonds1

About 5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole

5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole (PubChem CID 65421554) has the molecular formula C6H7ClN2S and a molecular weight of 174.66 g/mol. Its IUPAC name is 5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole
PubChem CID65421554
Molecular FormulaC6H7ClN2S
Molecular Weight174.66 g/mol
Exact Mass174.00
IUPAC Name5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole
SMILESCC1CC1c1nsc(Cl)n1
InChIInChI=1S/C6H7ClN2S/c1-3-2-4(3)5-8-6(7)10-9-5/h3-4H,2H2,1H3
InChIKeyLAHNHBKLIQTDKD-UHFFFAOYSA-N
XLogP2.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.66
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-3-ethyl-1,2,4-thiadiazole
CID 14763517
5-Bromo-3-cyclopropyl-1,2,4-thiadiazole
CID 65274017
5-Chloro-3-cyclopentyl-1,2,4-thiadiazole
CID 65267358
3-(Cyclopropylmethyl)-1,2,4-thiadiazol-5-amine
CID 80484090
5-Chloro-3-(propan-2-yl)-1,2,4-thiadiazole
CID 12874683
5-Chloro-3-propyl-1,2,4-thiadiazole
CID 14763518
5-Chloro-3-cyclopropyl-1,2,4-thiadiazole
CID 20079385
5-Chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazol
CID 46183294
3-Butyl-5-chloro-1,2,4-thiadiazole
CID 46318438
5-Chloro-3-(2,2-dimethylpropyl)-1,2,4-thiadiazole
CID 57742931
5-Chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane
CID 90867436
3-Chloro-5-cyclopropyl-1,2,4-thiadiazole
CID 119106312

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole (CID 65421554) is 5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole is CC1CC1c1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole?
The InChIKey is LAHNHBKLIQTDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2S/c1-3-2-4(3)5-8-6(7)10-9-5/h3-4H,2H2,1H3.
What are the key properties of 5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole?
5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole has a molecular weight of 174.66 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methylcyclopropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 65421554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).